4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-5,7-dimethoxyquinoline

C20H17FN4O2 — CID 162760874

IUPAC4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-5,7-dimethoxyquinoline
SMILESCOc1cc(OC)c2c(-c3cn(C)nc3-c3ccc(F)cn3)ccnc2c1
InChIInChI=1S/C20H17FN4O2/c1-25-11-15(20(24-25)16-5-4-12(21)10-23-16)14-6-7-22-17-8-13(26-2)9-18(27-3)19(14)17/h4-11H,1-3H3
InChIKeyAKFVPGHGYZWKAH-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.85
Rot. Bonds4

About 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-5,7-dimethoxyquinoline

4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-5,7-dimethoxyquinoline (PubChem CID 162760874) has the molecular formula C20H17FN4O2 and a molecular weight of 364.38 g/mol. Its IUPAC name is 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-5,7-dimethoxyquinoline.

Molecular Properties

Compound Name4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-5,7-dimethoxyquinoline
PubChem CID162760874
Molecular FormulaC20H17FN4O2
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC Name4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-5,7-dimethoxyquinoline
SMILESCOc1cc(OC)c2c(-c3cn(C)nc3-c3ccc(F)cn3)ccnc2c1
InChIInChI=1S/C20H17FN4O2/c1-25-11-15(20(24-25)16-5-4-12(21)10-23-16)14-6-7-22-17-8-13(26-2)9-18(27-3)19(14)17/h4-11H,1-3H3
InChIKeyAKFVPGHGYZWKAH-UHFFFAOYSA-N
XLogP3.85
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-5,7-dimethoxyquinoline?
The IUPAC name of 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-5,7-dimethoxyquinoline (CID 162760874) is 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-5,7-dimethoxyquinoline.
What is the SMILES notation for 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-5,7-dimethoxyquinoline?
The canonical SMILES for 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-5,7-dimethoxyquinoline is COc1cc(OC)c2c(-c3cn(C)nc3-c3ccc(F)cn3)ccnc2c1.
What is the InChIKey of 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-5,7-dimethoxyquinoline?
The InChIKey is AKFVPGHGYZWKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2/c1-25-11-15(20(24-25)16-5-4-12(21)10-23-16)14-6-7-22-17-8-13(26-2)9-18(27-3)19(14)17/h4-11H,1-3H3.
What are the key properties of 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-5,7-dimethoxyquinoline?
4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-5,7-dimethoxyquinoline has a molecular weight of 364.38 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-5,7-dimethoxyquinoline is sourced from PubChem (CID 162760874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).